>compound Citric acid_Citric acid
#instrument UPLC Q-Tof Premier, Waters
>formula C6H8O7
#smiles OC(=O)CC(O)(CC(O)=O)C(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100481.txt
>charge -1
>ionization [M-H]-
>parentmass 191.0192

>collision 5-60
85.0298 9.23
86.1162 1.301
87.0081 12.36
102.948 3.583
111.0082 30.71
129.0196 2.172
145.8915 4.404
146.8976 16.11
146.935 2.064
146.9581 1.305
162.892 17.42
173.0049 2.074
190.8935 2.232
191.0192 9.35

